2-amino-3-methoxy-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride

C14H19ClN4O3S — CID 120989341

IUPAC2-amino-3-methoxy-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1nnc(Cc2cccc(OC)c2)s1.Cl
InChIInChI=1S/C14H18N4O3S.ClH/c1-20-8-11(15)13(19)16-14-18-17-12(22-14)7-9-4-3-5-10(6-9)21-2;/h3-6,11H,7-8,15H2,1-2H3,(H,16,18,19);1H
InChIKeyJLBWRABHFCEZPF-UHFFFAOYSA-N
MW358.85 g/mol
LogP1.47
Rot. Bonds7

About 2-amino-3-methoxy-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride

2-amino-3-methoxy-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride (PubChem CID 120989341) has the molecular formula C14H19ClN4O3S and a molecular weight of 358.85 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
PubChem CID120989341
Molecular FormulaC14H19ClN4O3S
Molecular Weight358.85 g/mol
Exact Mass358.09
IUPAC Name2-amino-3-methoxy-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1nnc(Cc2cccc(OC)c2)s1.Cl
InChIInChI=1S/C14H18N4O3S.ClH/c1-20-8-11(15)13(19)16-14-18-17-12(22-14)7-9-4-3-5-10(6-9)21-2;/h3-6,11H,7-8,15H2,1-2H3,(H,16,18,19);1H
InChIKeyJLBWRABHFCEZPF-UHFFFAOYSA-N
XLogP1.47
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-amino-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide;hydrochloride
CID 119319877
5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 13272863
4-(methoxymethyl)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 120631356
(2S,4S)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631353
(2S)-2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride
CID 119336928
(2R)-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
CID 1086948
N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethyloxolane-2-carboxamide
CID 119040368
(2S)-2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
CID 119336943
3-(cyclobutanecarbonylamino)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide
CID 154754274
2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide;hydrochloride
CID 120984842
2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide
CID 120984843
2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride
CID 120985647

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride (CID 120989341) is 2-amino-3-methoxy-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride is COCC(N)C(=O)Nc1nnc(Cc2cccc(OC)c2)s1.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride?
The InChIKey is JLBWRABHFCEZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S.ClH/c1-20-8-11(15)13(19)16-14-18-17-12(22-14)7-9-4-3-5-10(6-9)21-2;/h3-6,11H,7-8,15H2,1-2H3,(H,16,18,19);1H.
What are the key properties of 2-amino-3-methoxy-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride has a molecular weight of 358.85 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 120989341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).